EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H20N4O2S |
| Net Charge | 0 |
| Average Mass | 392.484 |
| Monoisotopic Mass | 392.13070 |
| SMILES | Cn1c(SCC(=O)n2c3c(c4ccccc42)CCCC3)nnc1-c1ccco1 |
| InChI | InChI=1S/C21H20N4O2S/c1-24-20(18-11-6-12-27-18)22-23-21(24)28-13-19(26)25-16-9-4-2-7-14(16)15-8-3-5-10-17(15)25/h2,4,6-7,9,11-12H,3,5,8,10,13H2,1H3 |
| InChIKey | VGGMIZQVTWIWTG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone (CHEBI:93950) is a carbazoles (CHEBI:48513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4531 | LINCS |